sodium; 2-[[2-(dioxidanyl)-2-oxidanylidene-ethyl]-ethyl-amino]ethanoate; zirconium(4+)

Systemtic Name: sodium; 2-[[2-(dioxidanyl)-2-oxidanylidene-ethyl]-ethyl-amino]ethanoate; zirconium(4+) Openeye Name: sodium; 2-[ethyl-(2-hydroperoxy-2-oxo-ethyl)amino]acetate; zirconium(4+) CAS Name: sodium; 2-[ethyl-(2-hydroperoxy-2-oxoethyl)amino]acetate; zirconium(4+) IUPAC Name: sodium; 2-[ethyl-(2-hydroperoxy-2-oxoethyl)amino]acetate; zirconium(4+) Traditional Name: sodium; 2-[ethyl-(2-hydroperoxy-2-keto-ethyl)amino]acetate; zirconium(4+) Formula: C30H50N5NaO25Zr MolecularWeight: 994.95027

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)[O-])CC(=O)OO.CCN(CC(=O)[O-])CC(=O)OO.CCN(CC(=O)[O-])CC(=O)OO.CCN(CC(=O)[O-])CC(=O)OO.CCN(CC(=O)[O-])CC(=O)OO.[Na+].[Zr+4]

Isomeric SMILES

CCN(CC(=O)[O-])CC(=O)OO.CCN(CC(=O)[O-])CC(=O)OO.CCN(CC(=O)[O-])CC(=O)OO.CCN(CC(=O)[O-])CC(=O)OO.CCN(CC(=O)[O-])CC(=O)OO.[Na+].[Zr+4]

InChI

InChI=1S/5C6H11NO5.Na.Zr/c5*1-2-7(3-5(8)9)4-6(10)12-11;;/h5*11H,2-4H2,1H3,(H,8,9);;/q;;;;;+1;+4/p-5